REMARK  Name = BDB054410
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.909  -0.992   1.123  0.00  0.00    +0.129 A 
ATOM      2  C   LIG    1        0.167  -1.510   2.183  0.00  0.00    +0.054 A 
ATOM      3  C   LIG    1       -1.228  -1.362   2.229  0.00  0.00    -0.014 A 
ATOM      4  C   LIG    1       -1.899  -0.661   1.195  0.00  0.00    -0.006 A 
ATOM      5  C   LIG    1       -3.311  -0.546   1.281  0.00  0.00    +0.044 A 
ATOM      6  C   LIG    1       -4.023  -1.093   2.360  0.00  0.00    +0.013 A 
ATOM      7  C   LIG    1       -3.346  -1.774   3.365  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1       -1.116  -0.130   0.141  0.00  0.00    +0.013 A 
ATOM      9  C   LIG    1       -1.961  -1.907   3.297  0.00  0.00    +0.008 A 
ATOM     10  C   LIG    1        0.272  -0.285   0.108  0.00  0.00    +0.047 A 
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1       -4.095   0.173   0.244  0.00  0.00    +0.245 C 
ATOM     12  N   LIG    1       -5.108  -0.568  -0.325  0.00  0.00    -0.311 N 
ATOM     13  H   LIG    1       -5.249  -1.526  -0.035  0.00  0.00    +0.149 HD
ATOM     14  O   LIG    1       -3.830   1.330  -0.049  0.00  0.00    -0.270 OA
BRANCH  12  15
ATOM     15  C   LIG    1       -6.024  -0.005  -1.288  0.00  0.00    +0.108 C 
BRANCH  15  16
ATOM     16  C   LIG    1       -7.344   0.232  -0.625  0.00  0.00    +0.006 C 
ATOM     17  C   LIG    1       -7.550   1.438   0.257  0.00  0.00    +0.005 C 
ATOM     18  C   LIG    1       -8.235   1.359  -1.080  0.00  0.00    +0.005 C 
ENDBRANCH  15  16
ENDBRANCH  12  15
ENDBRANCH   5  11
BRANCH   1  19
ATOM     19  O   LIG    1        2.275  -1.162   1.185  0.00  0.00    -0.455 OA
BRANCH  19  28
ATOM     20  C   LIG    1        6.059   0.982  -1.407  0.00  0.00    +0.164 A 
ATOM     21  C   LIG    1        5.404   1.353  -0.222  0.00  0.00    +0.162 A 
ATOM     22  C   LIG    1        4.366   0.552   0.260  0.00  0.00    +0.063 A 
ATOM     23  C   LIG    1        3.970  -0.616  -0.429  0.00  0.00    +0.046 A 
ATOM     24  C   LIG    1        4.629  -0.982  -1.617  0.00  0.00    +0.078 A 
ATOM     25  N   LIG    1        4.300  -2.082  -2.318  0.00  0.00    -0.255 NA
ATOM     26  C   LIG    1        3.305  -2.869  -1.854  0.00  0.00    +0.115 A 
ATOM     27  C   LIG    1        2.596  -2.607  -0.704  0.00  0.00    +0.066 A 
ATOM     28  C   LIG    1        2.925  -1.455   0.003  0.00  0.00    +0.139 A 
ATOM     29  C   LIG    1        5.659  -0.177  -2.083  0.00  0.00    +0.077 A 
BRANCH  20  31
ATOM     30  C   LIG    1        7.756   1.470  -3.020  0.00  0.00    +0.277 C 
ATOM     31  O   LIG    1        7.071   1.812  -1.823  0.00  0.00    -0.491 OA
ENDBRANCH  20  31
BRANCH  21  32
ATOM     32  O   LIG    1        5.848   2.500   0.385  0.00  0.00    -0.491 OA
ATOM     33  C   LIG    1        5.170   2.935   1.555  0.00  0.00    +0.277 C 
ENDBRANCH  21  32
ENDBRANCH  19  28
ENDBRANCH   1  19
TORSDOF 7